albertbou92
diff --git a/‎.idea/ReinventCommunity.iml
-11 b/‎.idea/ReinventCommunity.iml
-11
diff --git a/‎.idea/inspectionProfiles/profiles_settings.xml
-6 b/‎.idea/inspectionProfiles/profiles_settings.xml
-6
diff --git a/‎.idea/misc.xml
-4 b/‎.idea/misc.xml
-4
diff --git a/‎.idea/modules.xml
-8 b/‎.idea/modules.xml
-8
diff --git a/‎.idea/vcs.xml
-6 b/‎.idea/vcs.xml
-6
diff --git a/‎notebooks/Complete_Use-Case-DRD2_Demo.ipynb
+2-2 b/‎notebooks/Complete_Use-Case-DRD2_Demo.ipynb
+2-2
diff --git a/‎notebooks/Create_Model_Demo.ipynb
+1-1 b/‎notebooks/Create_Model_Demo.ipynb
+1-1
diff --git a/‎notebooks/Data_Preparation.ipynb
0 Bytes b/‎notebooks/Data_Preparation.ipynb
0 Bytes
diff --git a/‎notebooks/Lib-INVENT_RL1_QSAR.ipynb
827 KB b/‎notebooks/Lib-INVENT_RL1_QSAR.ipynb
827 KB
diff --git a/‎notebooks/Lib-INVENT_RL2_QSAR_RF.ipynb
699 KB b/‎notebooks/Lib-INVENT_RL2_QSAR_RF.ipynb
699 KB
@@ -380,8 +380,8 @@
    "outputs": [],
    "source": [
     "configuration[\"parameters\"][\"reinforcement_learning\"] = {\n",
-    "    \"prior\": os.path.join(reinvent_dir, \"data/augmented.prior\"),\n",
-    "    \"agent\": os.path.join(reinvent_dir, \"data/augmented.prior\"),\n",
+    "    \"prior\": os.path.join(ipynb_path, \"models/augmented.prior\"),\n",
+    "    \"agent\": os.path.join(ipynb_path, \"models/augmented.prior\"),\n",
     "    \"n_steps\": 300,\n",
     "    \"sigma\": 128,\n",
     "    \"learning_rate\": 0.0001,\n",
 
@@ -106,7 +106,7 @@
     "# provide your input dataset that will be used for training \n",
     "#we use a purged dataset provided with this repo\n",
     "\n",
-    "input_SMILES_path = os.path.join(reinvent_dir, \"data/chembl.filtered.smi\") \n",
+    "input_SMILES_path = os.path.join(ipynb_path, \"data/chembl.filtered.smi\") \n",
     "output_model_path = os.path.join(output_dir, \"empty_model.ckpt\")\n",
     "\n",
     "# add the \"parameters\" block\n",